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Theoretical description of the nucleation of vapor bubbles in a superheated fluid

J. F. Lutsko

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The nucleation of vapor bubbles within a superheated fluid is studied using density functional theory. The nudged elastic band technique is used to find the minimum energy pathway from the metastable uniform liquid to the stable uniform gas thus emphasizing the analogy between the the nucleation problem and that of chemical reactions. The result is both an accurate determination of the critical nucleus and an unbiased description of the density profile at various points along the path between the free energy extrema. This calculation is compared to two other methods: the use of parametrized profiles and constrained minimization of the free energy. The results indicate that the recent claim, based on the constraint method, that bubble nucleation and growth involves an activated instability is incorrect.


PACS

64.70.F- Liquid–vapor transitions

64.60.Q- Nucleation

82.60.Nh Thermodynamics of nucleation

Subjects

Condensed matter: structural, mechanical & thermal

Chemical physics and physical chemistry

Dates

Issue 4 (August 2008)

Received 13 June 2008, accepted for publication 3 July 2008

Published 19 August 2008



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